(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

C17H22N4O3 — CID 124810117

IUPAC(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCOc1ncccc1CN1C[C@H](c2nc(C)no2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C17H22N4O3/c1-11-19-17(24-20-11)13-8-15-14(5-7-23-15)21(10-13)9-12-4-3-6-18-16(12)22-2/h3-4,6,13-15H,5,7-10H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyNGMPHWXYDSFVKO-ILXRZTDVSA-N
MW330.39 g/mol
LogP1.93
Rot. Bonds4

About (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (PubChem CID 124810117) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
PubChem CID124810117
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCOc1ncccc1CN1C[C@H](c2nc(C)no2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C17H22N4O3/c1-11-19-17(24-20-11)13-8-15-14(5-7-23-15)21(10-13)9-12-4-3-6-18-16(12)22-2/h3-4,6,13-15H,5,7-10H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyNGMPHWXYDSFVKO-ILXRZTDVSA-N
XLogP1.93
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 171694780
(3aR,6R,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155835335
(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 127021458
(3aR,6R,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(5-methylthiophen-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155848599
(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 127023025
(3aR,6R,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(3-methylthiophen-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 127021464
(3aR,6S,7aR)-4-(cyclopropylmethyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155853030
3-[(3S,3aS,7aS)-1-[(2-methoxy-3-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea
CID 97460361
(4aR,7S,7aS)-7-(cyclopropylmethoxy)-4-[(2-methoxy-3-pyridinyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124795449
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(quinolin-8-ylmethyl)pyrrolidin-3-ol
CID 128968818
3-[(2-methoxy-3-pyridinyl)methyl]-5-[(2S,3S)-3-(pyrazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
CID 167876542
(3aS,6aR)-4-[(2-methoxy-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124789644

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The IUPAC name of (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (CID 124810117) is (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.
What is the SMILES notation for (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The canonical SMILES for (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is COc1ncccc1CN1C[C@H](c2nc(C)no2)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The InChIKey is NGMPHWXYDSFVKO-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-19-17(24-20-11)13-8-15-14(5-7-23-15)21(10-13)9-12-4-3-6-18-16(12)22-2/h3-4,6,13-15H,5,7-10H2,1-2H3/t13-,14+,15+/m1/s1.
What are the key properties of (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
(3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine has a molecular weight of 330.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,7aS)-4-[(2-methoxy-3-pyridinyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 124810117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).